USER MOD reduce.3.24.130724 H: found=0, std=0, add=402, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 403 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 124 SER OG : rot -93:sc= 1.65 USER MOD Set 1.2: A 127 THR OG1 : rot 56:sc= 0.494 USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 TYR OH : rot 127:sc= 0.82 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0.163 USER MOD Single : A 102 SER OG : rot 37:sc= 0.0153 USER MOD Single : A 104 HIS : no HD1:sc= -2.7! C(o=-2.7!,f=-4.3!) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 GLN : amide:sc= -0.369 K(o=-0.37,f=-3.9!) USER MOD Single : A 113 ASN : amide:sc= 0.177 X(o=0.18,f=0) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 126 THR OG1 : rot 180:sc= 0 USER MOD Single : A 130 THR OG1 : rot 180:sc= 0 USER MOD Single : A 132 TYR OH : rot 180:sc= 0 USER MOD Single : A 135 SER OG : rot 180:sc= -0.0188 USER MOD Single : A 136 ASN : amide:sc= -1.07 K(o=-1.1,f=-4.6!) USER MOD Single : A 137 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 33 N LEU A 86 -8.539 6.180 -9.476 1.00 0.00 N ATOM 34 CA LEU A 86 -7.076 6.454 -9.486 1.00 0.00 C ATOM 35 C LEU A 86 -6.634 6.989 -8.123 1.00 0.00 C ATOM 36 O LEU A 86 -7.327 7.763 -7.494 1.00 0.00 O ATOM 37 CB LEU A 86 -6.761 7.490 -10.566 1.00 0.00 C ATOM 38 CG LEU A 86 -6.300 6.776 -11.836 1.00 0.00 C ATOM 39 CD1 LEU A 86 -6.096 7.800 -12.953 1.00 0.00 C ATOM 40 CD2 LEU A 86 -4.981 6.052 -11.561 1.00 0.00 C ATOM 0 HA LEU A 86 -6.540 5.528 -9.696 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -7.644 8.093 -10.775 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -5.985 8.171 -10.217 1.00 0.00 H new ATOM 0 HG LEU A 86 -7.056 6.053 -12.141 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -5.767 7.290 -13.858 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -7.035 8.317 -13.149 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -5.340 8.524 -12.649 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -4.650 5.542 -12.466 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -4.225 6.776 -11.256 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -5.126 5.321 -10.765 1.00 0.00 H new ATOM 52 N PHE A 87 -5.480 6.584 -7.668 1.00 0.00 N ATOM 53 CA PHE A 87 -4.982 7.069 -6.351 1.00 0.00 C ATOM 54 C PHE A 87 -3.560 7.607 -6.519 1.00 0.00 C ATOM 55 O PHE A 87 -2.930 7.413 -7.541 1.00 0.00 O ATOM 56 CB PHE A 87 -4.975 5.912 -5.350 1.00 0.00 C ATOM 57 CG PHE A 87 -6.395 5.527 -5.015 1.00 0.00 C ATOM 58 CD1 PHE A 87 -7.163 4.808 -5.940 1.00 0.00 C ATOM 59 CD2 PHE A 87 -6.945 5.890 -3.780 1.00 0.00 C ATOM 60 CE1 PHE A 87 -8.480 4.452 -5.629 1.00 0.00 C ATOM 61 CE2 PHE A 87 -8.264 5.535 -3.469 1.00 0.00 C ATOM 62 CZ PHE A 87 -9.031 4.816 -4.394 1.00 0.00 C ATOM 0 H PHE A 87 -4.859 5.936 -8.153 1.00 0.00 H new ATOM 0 HA PHE A 87 -5.633 7.862 -5.982 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -4.445 5.057 -5.770 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -4.443 6.204 -4.445 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -6.739 4.529 -6.893 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -6.352 6.444 -3.067 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -9.072 3.896 -6.341 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -8.689 5.816 -2.517 1.00 0.00 H new ATOM 0 HZ PHE A 87 -10.048 4.542 -4.155 1.00 0.00 H new ATOM 72 N VAL A 88 -3.048 8.283 -5.528 1.00 0.00 N ATOM 73 CA VAL A 88 -1.665 8.831 -5.638 1.00 0.00 C ATOM 74 C VAL A 88 -0.903 8.545 -4.344 1.00 0.00 C ATOM 75 O VAL A 88 -1.458 8.586 -3.264 1.00 0.00 O ATOM 76 CB VAL A 88 -1.712 10.346 -5.876 1.00 0.00 C ATOM 77 CG1 VAL A 88 -0.671 10.725 -6.931 1.00 0.00 C ATOM 78 CG2 VAL A 88 -3.101 10.763 -6.369 1.00 0.00 C ATOM 0 H VAL A 88 -3.525 8.480 -4.648 1.00 0.00 H new ATOM 0 HA VAL A 88 -1.160 8.355 -6.479 1.00 0.00 H new ATOM 0 HB VAL A 88 -1.498 10.858 -4.938 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -0.702 11.801 -7.102 1.00 0.00 H new ATOM 0 HG12 VAL A 88 0.322 10.442 -6.581 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -0.890 10.203 -7.862 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -3.120 11.840 -6.534 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -3.325 10.249 -7.304 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -3.848 10.497 -5.621 1.00 0.00 H new ATOM 88 N ALA A 89 0.365 8.256 -4.443 1.00 0.00 N ATOM 89 CA ALA A 89 1.161 7.968 -3.217 1.00 0.00 C ATOM 90 C ALA A 89 1.402 9.271 -2.451 1.00 0.00 C ATOM 91 O ALA A 89 2.083 10.162 -2.921 1.00 0.00 O ATOM 92 CB ALA A 89 2.503 7.349 -3.615 1.00 0.00 C ATOM 0 H ALA A 89 0.884 8.207 -5.320 1.00 0.00 H new ATOM 0 HA ALA A 89 0.616 7.270 -2.582 1.00 0.00 H new ATOM 0 HB1 ALA A 89 3.086 7.138 -2.719 1.00 0.00 H new ATOM 0 HB2 ALA A 89 2.328 6.422 -4.161 1.00 0.00 H new ATOM 0 HB3 ALA A 89 3.051 8.046 -4.249 1.00 0.00 H new ATOM 98 N LEU A 90 0.846 9.393 -1.276 1.00 0.00 N ATOM 99 CA LEU A 90 1.041 10.640 -0.483 1.00 0.00 C ATOM 100 C LEU A 90 2.485 10.708 0.021 1.00 0.00 C ATOM 101 O LEU A 90 2.940 11.731 0.492 1.00 0.00 O ATOM 102 CB LEU A 90 0.082 10.643 0.710 1.00 0.00 C ATOM 103 CG LEU A 90 -1.275 10.085 0.278 1.00 0.00 C ATOM 104 CD1 LEU A 90 -1.556 8.784 1.033 1.00 0.00 C ATOM 105 CD2 LEU A 90 -2.371 11.105 0.600 1.00 0.00 C ATOM 0 H LEU A 90 0.265 8.683 -0.831 1.00 0.00 H new ATOM 0 HA LEU A 90 0.838 11.505 -1.114 1.00 0.00 H new ATOM 0 HB2 LEU A 90 0.492 10.042 1.521 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -0.035 11.657 1.093 1.00 0.00 H new ATOM 0 HG LEU A 90 -1.262 9.889 -0.794 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -2.523 8.386 0.725 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -0.776 8.057 0.807 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -1.569 8.981 2.105 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -3.339 10.709 0.293 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -2.383 11.300 1.672 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -2.173 12.033 0.065 1.00 0.00 H new ATOM 117 N TYR A 91 3.211 9.628 -0.079 1.00 0.00 N ATOM 118 CA TYR A 91 4.626 9.634 0.390 1.00 0.00 C ATOM 119 C TYR A 91 5.430 8.613 -0.415 1.00 0.00 C ATOM 120 O TYR A 91 4.926 7.575 -0.796 1.00 0.00 O ATOM 121 CB TYR A 91 4.683 9.256 1.873 1.00 0.00 C ATOM 122 CG TYR A 91 3.580 9.958 2.628 1.00 0.00 C ATOM 123 CD1 TYR A 91 3.734 11.296 3.010 1.00 0.00 C ATOM 124 CD2 TYR A 91 2.405 9.268 2.950 1.00 0.00 C ATOM 125 CE1 TYR A 91 2.713 11.945 3.716 1.00 0.00 C ATOM 126 CE2 TYR A 91 1.384 9.917 3.655 1.00 0.00 C ATOM 127 CZ TYR A 91 1.538 11.255 4.038 1.00 0.00 C ATOM 128 OH TYR A 91 0.532 11.893 4.735 1.00 0.00 O ATOM 0 H TYR A 91 2.886 8.742 -0.465 1.00 0.00 H new ATOM 0 HA TYR A 91 5.045 10.631 0.252 1.00 0.00 H new ATOM 0 HB2 TYR A 91 4.582 8.177 1.986 1.00 0.00 H new ATOM 0 HB3 TYR A 91 5.652 9.531 2.290 1.00 0.00 H new ATOM 0 HD1 TYR A 91 4.640 11.828 2.760 1.00 0.00 H new ATOM 0 HD2 TYR A 91 2.286 8.236 2.655 1.00 0.00 H new ATOM 0 HE1 TYR A 91 2.832 12.977 4.012 1.00 0.00 H new ATOM 0 HE2 TYR A 91 0.477 9.385 3.903 1.00 0.00 H new ATOM 0 HH TYR A 91 -0.213 11.272 4.875 1.00 0.00 H new ATOM 138 N ASP A 92 6.679 8.890 -0.669 1.00 0.00 N ATOM 139 CA ASP A 92 7.508 7.922 -1.439 1.00 0.00 C ATOM 140 C ASP A 92 7.621 6.626 -0.636 1.00 0.00 C ATOM 141 O ASP A 92 7.697 6.644 0.576 1.00 0.00 O ATOM 142 CB ASP A 92 8.903 8.508 -1.669 1.00 0.00 C ATOM 143 CG ASP A 92 9.534 8.871 -0.324 1.00 0.00 C ATOM 144 OD1 ASP A 92 9.142 9.881 0.239 1.00 0.00 O ATOM 145 OD2 ASP A 92 10.399 8.135 0.120 1.00 0.00 O ATOM 0 H ASP A 92 7.160 9.741 -0.378 1.00 0.00 H new ATOM 0 HA ASP A 92 7.044 7.721 -2.405 1.00 0.00 H new ATOM 0 HB2 ASP A 92 9.530 7.787 -2.193 1.00 0.00 H new ATOM 0 HB3 ASP A 92 8.837 9.393 -2.302 1.00 0.00 H new ATOM 150 N TYR A 93 7.623 5.501 -1.294 1.00 0.00 N ATOM 151 CA TYR A 93 7.720 4.214 -0.549 1.00 0.00 C ATOM 152 C TYR A 93 8.850 3.361 -1.123 1.00 0.00 C ATOM 153 O TYR A 93 9.139 3.402 -2.303 1.00 0.00 O ATOM 154 CB TYR A 93 6.400 3.454 -0.673 1.00 0.00 C ATOM 155 CG TYR A 93 6.462 2.202 0.169 1.00 0.00 C ATOM 156 CD1 TYR A 93 6.988 2.256 1.466 1.00 0.00 C ATOM 157 CD2 TYR A 93 5.993 0.988 -0.346 1.00 0.00 C ATOM 158 CE1 TYR A 93 7.047 1.096 2.246 1.00 0.00 C ATOM 159 CE2 TYR A 93 6.052 -0.173 0.435 1.00 0.00 C ATOM 160 CZ TYR A 93 6.580 -0.119 1.731 1.00 0.00 C ATOM 161 OH TYR A 93 6.637 -1.264 2.500 1.00 0.00 O ATOM 0 H TYR A 93 7.562 5.416 -2.309 1.00 0.00 H new ATOM 0 HA TYR A 93 7.927 4.425 0.500 1.00 0.00 H new ATOM 0 HB2 TYR A 93 5.573 4.084 -0.347 1.00 0.00 H new ATOM 0 HB3 TYR A 93 6.213 3.196 -1.715 1.00 0.00 H new ATOM 0 HD1 TYR A 93 7.348 3.193 1.864 1.00 0.00 H new ATOM 0 HD2 TYR A 93 5.586 0.947 -1.345 1.00 0.00 H new ATOM 0 HE1 TYR A 93 7.453 1.138 3.246 1.00 0.00 H new ATOM 0 HE2 TYR A 93 5.690 -1.110 0.038 1.00 0.00 H new ATOM 0 HH TYR A 93 5.750 -1.678 2.536 1.00 0.00 H new ATOM 171 N GLU A 94 9.487 2.580 -0.295 1.00 0.00 N ATOM 172 CA GLU A 94 10.594 1.714 -0.782 1.00 0.00 C ATOM 173 C GLU A 94 10.233 0.251 -0.519 1.00 0.00 C ATOM 174 O GLU A 94 10.216 -0.199 0.610 1.00 0.00 O ATOM 175 CB GLU A 94 11.884 2.066 -0.040 1.00 0.00 C ATOM 176 CG GLU A 94 12.554 3.263 -0.718 1.00 0.00 C ATOM 177 CD GLU A 94 13.911 3.525 -0.063 1.00 0.00 C ATOM 178 OE1 GLU A 94 14.461 2.597 0.507 1.00 0.00 O ATOM 179 OE2 GLU A 94 14.378 4.650 -0.144 1.00 0.00 O ATOM 0 H GLU A 94 9.286 2.505 0.702 1.00 0.00 H new ATOM 0 HA GLU A 94 10.742 1.870 -1.850 1.00 0.00 H new ATOM 0 HB2 GLU A 94 11.664 2.301 1.001 1.00 0.00 H new ATOM 0 HB3 GLU A 94 12.560 1.211 -0.038 1.00 0.00 H new ATOM 0 HG2 GLU A 94 12.684 3.066 -1.782 1.00 0.00 H new ATOM 0 HG3 GLU A 94 11.920 4.145 -0.632 1.00 0.00 H new ATOM 186 N ALA A 95 9.936 -0.491 -1.551 1.00 0.00 N ATOM 187 CA ALA A 95 9.567 -1.923 -1.363 1.00 0.00 C ATOM 188 C ALA A 95 10.491 -2.569 -0.329 1.00 0.00 C ATOM 189 O ALA A 95 11.579 -3.010 -0.643 1.00 0.00 O ATOM 190 CB ALA A 95 9.698 -2.661 -2.696 1.00 0.00 C ATOM 0 H ALA A 95 9.933 -0.167 -2.518 1.00 0.00 H new ATOM 0 HA ALA A 95 8.538 -1.984 -1.010 1.00 0.00 H new ATOM 0 HB1 ALA A 95 9.428 -3.708 -2.560 1.00 0.00 H new ATOM 0 HB2 ALA A 95 9.032 -2.207 -3.430 1.00 0.00 H new ATOM 0 HB3 ALA A 95 10.727 -2.594 -3.049 1.00 0.00 H new ATOM 196 N ARG A 96 10.062 -2.639 0.903 1.00 0.00 N ATOM 197 CA ARG A 96 10.913 -3.266 1.953 1.00 0.00 C ATOM 198 C ARG A 96 11.032 -4.765 1.671 1.00 0.00 C ATOM 199 O ARG A 96 11.960 -5.418 2.104 1.00 0.00 O ATOM 200 CB ARG A 96 10.270 -3.058 3.328 1.00 0.00 C ATOM 201 CG ARG A 96 10.373 -1.585 3.727 1.00 0.00 C ATOM 202 CD ARG A 96 11.608 -1.378 4.605 1.00 0.00 C ATOM 203 NE ARG A 96 12.354 -0.178 4.136 1.00 0.00 N ATOM 204 CZ ARG A 96 13.115 0.483 4.965 1.00 0.00 C ATOM 205 NH1 ARG A 96 12.653 0.841 6.132 1.00 0.00 N ATOM 206 NH2 ARG A 96 14.338 0.789 4.627 1.00 0.00 N ATOM 0 H ARG A 96 9.160 -2.289 1.226 1.00 0.00 H new ATOM 0 HA ARG A 96 11.902 -2.808 1.944 1.00 0.00 H new ATOM 0 HB2 ARG A 96 9.225 -3.365 3.302 1.00 0.00 H new ATOM 0 HB3 ARG A 96 10.767 -3.682 4.071 1.00 0.00 H new ATOM 0 HG2 ARG A 96 10.438 -0.960 2.836 1.00 0.00 H new ATOM 0 HG3 ARG A 96 9.476 -1.280 4.266 1.00 0.00 H new ATOM 0 HD2 ARG A 96 11.310 -1.251 5.646 1.00 0.00 H new ATOM 0 HD3 ARG A 96 12.250 -2.258 4.562 1.00 0.00 H new ATOM 0 HE ARG A 96 12.270 0.128 3.166 1.00 0.00 H new ATOM 0 HH11 ARG A 96 11.697 0.604 6.396 1.00 0.00 H new ATOM 0 HH12 ARG A 96 13.248 1.358 6.780 1.00 0.00 H new ATOM 0 HH21 ARG A 96 14.700 0.512 3.714 1.00 0.00 H new ATOM 0 HH22 ARG A 96 14.932 1.306 5.275 1.00 0.00 H new ATOM 220 N THR A 97 10.095 -5.314 0.946 1.00 0.00 N ATOM 221 CA THR A 97 10.147 -6.769 0.631 1.00 0.00 C ATOM 222 C THR A 97 10.063 -6.963 -0.885 1.00 0.00 C ATOM 223 O THR A 97 9.982 -6.012 -1.638 1.00 0.00 O ATOM 224 CB THR A 97 8.967 -7.476 1.304 1.00 0.00 C ATOM 225 OG1 THR A 97 7.768 -7.157 0.611 1.00 0.00 O ATOM 226 CG2 THR A 97 8.856 -7.015 2.759 1.00 0.00 C ATOM 0 H THR A 97 9.294 -4.816 0.558 1.00 0.00 H new ATOM 0 HA THR A 97 11.082 -7.191 1.000 1.00 0.00 H new ATOM 0 HB THR A 97 9.126 -8.554 1.278 1.00 0.00 H new ATOM 0 HG1 THR A 97 7.012 -7.610 1.040 1.00 0.00 H new ATOM 0 HG21 THR A 97 8.016 -7.519 3.237 1.00 0.00 H new ATOM 0 HG22 THR A 97 9.776 -7.260 3.290 1.00 0.00 H new ATOM 0 HG23 THR A 97 8.697 -5.937 2.788 1.00 0.00 H new ATOM 234 N GLU A 98 10.083 -8.186 -1.342 1.00 0.00 N ATOM 235 CA GLU A 98 10.006 -8.432 -2.810 1.00 0.00 C ATOM 236 C GLU A 98 8.545 -8.616 -3.224 1.00 0.00 C ATOM 237 O GLU A 98 8.249 -9.011 -4.334 1.00 0.00 O ATOM 238 CB GLU A 98 10.798 -9.694 -3.159 1.00 0.00 C ATOM 239 CG GLU A 98 12.106 -9.301 -3.850 1.00 0.00 C ATOM 240 CD GLU A 98 12.549 -10.427 -4.785 1.00 0.00 C ATOM 241 OE1 GLU A 98 12.393 -11.577 -4.411 1.00 0.00 O ATOM 242 OE2 GLU A 98 13.039 -10.120 -5.861 1.00 0.00 O ATOM 0 H GLU A 98 10.149 -9.023 -0.763 1.00 0.00 H new ATOM 0 HA GLU A 98 10.428 -7.579 -3.342 1.00 0.00 H new ATOM 0 HB2 GLU A 98 11.009 -10.265 -2.255 1.00 0.00 H new ATOM 0 HB3 GLU A 98 10.208 -10.337 -3.812 1.00 0.00 H new ATOM 0 HG2 GLU A 98 11.968 -8.379 -4.414 1.00 0.00 H new ATOM 0 HG3 GLU A 98 12.878 -9.107 -3.106 1.00 0.00 H new ATOM 249 N ASP A 99 7.626 -8.331 -2.341 1.00 0.00 N ATOM 250 CA ASP A 99 6.185 -8.490 -2.689 1.00 0.00 C ATOM 251 C ASP A 99 5.523 -7.112 -2.767 1.00 0.00 C ATOM 252 O ASP A 99 4.370 -6.989 -3.130 1.00 0.00 O ATOM 253 CB ASP A 99 5.489 -9.330 -1.615 1.00 0.00 C ATOM 254 CG ASP A 99 5.497 -10.801 -2.032 1.00 0.00 C ATOM 255 OD1 ASP A 99 4.945 -11.104 -3.078 1.00 0.00 O ATOM 256 OD2 ASP A 99 6.055 -11.600 -1.300 1.00 0.00 O ATOM 0 H ASP A 99 7.810 -7.996 -1.396 1.00 0.00 H new ATOM 0 HA ASP A 99 6.098 -8.990 -3.654 1.00 0.00 H new ATOM 0 HB2 ASP A 99 5.997 -9.210 -0.658 1.00 0.00 H new ATOM 0 HB3 ASP A 99 4.464 -8.986 -1.477 1.00 0.00 H new ATOM 261 N ASP A 100 6.239 -6.074 -2.429 1.00 0.00 N ATOM 262 CA ASP A 100 5.644 -4.708 -2.485 1.00 0.00 C ATOM 263 C ASP A 100 6.223 -3.946 -3.678 1.00 0.00 C ATOM 264 O ASP A 100 6.998 -4.477 -4.449 1.00 0.00 O ATOM 265 CB ASP A 100 5.968 -3.956 -1.193 1.00 0.00 C ATOM 266 CG ASP A 100 5.571 -4.811 0.011 1.00 0.00 C ATOM 267 OD1 ASP A 100 4.876 -5.794 -0.188 1.00 0.00 O ATOM 268 OD2 ASP A 100 5.968 -4.468 1.112 1.00 0.00 O ATOM 0 H ASP A 100 7.209 -6.113 -2.117 1.00 0.00 H new ATOM 0 HA ASP A 100 4.563 -4.789 -2.597 1.00 0.00 H new ATOM 0 HB2 ASP A 100 7.032 -3.724 -1.152 1.00 0.00 H new ATOM 0 HB3 ASP A 100 5.434 -3.006 -1.169 1.00 0.00 H new ATOM 273 N LEU A 101 5.852 -2.706 -3.837 1.00 0.00 N ATOM 274 CA LEU A 101 6.380 -1.911 -4.982 1.00 0.00 C ATOM 275 C LEU A 101 7.176 -0.715 -4.455 1.00 0.00 C ATOM 276 O LEU A 101 7.123 -0.383 -3.287 1.00 0.00 O ATOM 277 CB LEU A 101 5.213 -1.402 -5.831 1.00 0.00 C ATOM 278 CG LEU A 101 4.313 -2.574 -6.220 1.00 0.00 C ATOM 279 CD1 LEU A 101 2.862 -2.240 -5.868 1.00 0.00 C ATOM 280 CD2 LEU A 101 4.426 -2.825 -7.726 1.00 0.00 C ATOM 0 H LEU A 101 5.206 -2.208 -3.224 1.00 0.00 H new ATOM 0 HA LEU A 101 7.029 -2.543 -5.589 1.00 0.00 H new ATOM 0 HB2 LEU A 101 4.641 -0.660 -5.274 1.00 0.00 H new ATOM 0 HB3 LEU A 101 5.590 -0.907 -6.726 1.00 0.00 H new ATOM 0 HG LEU A 101 4.623 -3.467 -5.677 1.00 0.00 H new ATOM 0 HD11 LEU A 101 2.219 -3.075 -6.145 1.00 0.00 H new ATOM 0 HD12 LEU A 101 2.780 -2.059 -4.796 1.00 0.00 H new ATOM 0 HD13 LEU A 101 2.552 -1.348 -6.412 1.00 0.00 H new ATOM 0 HD21 LEU A 101 3.784 -3.661 -8.005 1.00 0.00 H new ATOM 0 HD22 LEU A 101 4.115 -1.932 -8.268 1.00 0.00 H new ATOM 0 HD23 LEU A 101 5.460 -3.061 -7.979 1.00 0.00 H new ATOM 292 N SER A 102 7.908 -0.061 -5.315 1.00 0.00 N ATOM 293 CA SER A 102 8.704 1.119 -4.876 1.00 0.00 C ATOM 294 C SER A 102 8.363 2.308 -5.776 1.00 0.00 C ATOM 295 O SER A 102 8.229 2.169 -6.975 1.00 0.00 O ATOM 296 CB SER A 102 10.195 0.800 -4.990 1.00 0.00 C ATOM 297 OG SER A 102 10.950 1.959 -4.657 1.00 0.00 O ATOM 0 H SER A 102 7.989 -0.294 -6.305 1.00 0.00 H new ATOM 0 HA SER A 102 8.468 1.361 -3.840 1.00 0.00 H new ATOM 0 HB2 SER A 102 10.455 -0.022 -4.323 1.00 0.00 H new ATOM 0 HB3 SER A 102 10.433 0.475 -6.003 1.00 0.00 H new ATOM 0 HG SER A 102 10.501 2.445 -3.934 1.00 0.00 H new ATOM 303 N PHE A 103 8.214 3.475 -5.212 1.00 0.00 N ATOM 304 CA PHE A 103 7.873 4.660 -6.049 1.00 0.00 C ATOM 305 C PHE A 103 8.163 5.946 -5.275 1.00 0.00 C ATOM 306 O PHE A 103 8.746 5.927 -4.209 1.00 0.00 O ATOM 307 CB PHE A 103 6.388 4.611 -6.408 1.00 0.00 C ATOM 308 CG PHE A 103 5.589 4.249 -5.180 1.00 0.00 C ATOM 309 CD1 PHE A 103 5.413 2.903 -4.835 1.00 0.00 C ATOM 310 CD2 PHE A 103 5.021 5.254 -4.390 1.00 0.00 C ATOM 311 CE1 PHE A 103 4.671 2.564 -3.698 1.00 0.00 C ATOM 312 CE2 PHE A 103 4.277 4.915 -3.252 1.00 0.00 C ATOM 313 CZ PHE A 103 4.103 3.568 -2.907 1.00 0.00 C ATOM 0 H PHE A 103 8.313 3.659 -4.214 1.00 0.00 H new ATOM 0 HA PHE A 103 8.476 4.645 -6.957 1.00 0.00 H new ATOM 0 HB2 PHE A 103 6.064 5.577 -6.795 1.00 0.00 H new ATOM 0 HB3 PHE A 103 6.217 3.878 -7.196 1.00 0.00 H new ATOM 0 HD1 PHE A 103 5.850 2.127 -5.446 1.00 0.00 H new ATOM 0 HD2 PHE A 103 5.156 6.292 -4.657 1.00 0.00 H new ATOM 0 HE1 PHE A 103 4.537 1.526 -3.431 1.00 0.00 H new ATOM 0 HE2 PHE A 103 3.838 5.691 -2.642 1.00 0.00 H new ATOM 0 HZ PHE A 103 3.530 3.305 -2.030 1.00 0.00 H new ATOM 323 N HIS A 104 7.757 7.064 -5.812 1.00 0.00 N ATOM 324 CA HIS A 104 8.002 8.359 -5.120 1.00 0.00 C ATOM 325 C HIS A 104 6.668 9.071 -4.883 1.00 0.00 C ATOM 326 O HIS A 104 5.713 8.879 -5.609 1.00 0.00 O ATOM 327 CB HIS A 104 8.896 9.238 -5.997 1.00 0.00 C ATOM 328 CG HIS A 104 8.390 9.209 -7.412 1.00 0.00 C ATOM 329 ND1 HIS A 104 8.560 8.107 -8.235 1.00 0.00 N ATOM 330 CD2 HIS A 104 7.711 10.136 -8.165 1.00 0.00 C ATOM 331 CE1 HIS A 104 7.996 8.394 -9.423 1.00 0.00 C ATOM 332 NE2 HIS A 104 7.464 9.620 -9.433 1.00 0.00 N ATOM 0 H HIS A 104 7.265 7.135 -6.703 1.00 0.00 H new ATOM 0 HA HIS A 104 8.491 8.175 -4.164 1.00 0.00 H new ATOM 0 HB2 HIS A 104 8.900 10.261 -5.621 1.00 0.00 H new ATOM 0 HB3 HIS A 104 9.925 8.881 -5.960 1.00 0.00 H new ATOM 0 HD2 HIS A 104 7.414 11.117 -7.824 1.00 0.00 H new ATOM 0 HE1 HIS A 104 7.976 7.717 -10.264 1.00 0.00 H new ATOM 0 HE2 HIS A 104 6.980 10.079 -10.205 1.00 0.00 H new ATOM 340 N LYS A 105 6.596 9.891 -3.871 1.00 0.00 N ATOM 341 CA LYS A 105 5.326 10.617 -3.586 1.00 0.00 C ATOM 342 C LYS A 105 4.885 11.387 -4.833 1.00 0.00 C ATOM 343 O LYS A 105 5.641 12.149 -5.402 1.00 0.00 O ATOM 344 CB LYS A 105 5.552 11.598 -2.434 1.00 0.00 C ATOM 345 CG LYS A 105 4.302 12.459 -2.238 1.00 0.00 C ATOM 346 CD LYS A 105 4.674 13.738 -1.485 1.00 0.00 C ATOM 347 CE LYS A 105 3.401 14.471 -1.063 1.00 0.00 C ATOM 348 NZ LYS A 105 3.743 15.859 -0.646 1.00 0.00 N ATOM 0 H LYS A 105 7.363 10.090 -3.228 1.00 0.00 H new ATOM 0 HA LYS A 105 4.551 9.902 -3.311 1.00 0.00 H new ATOM 0 HB2 LYS A 105 5.777 11.052 -1.518 1.00 0.00 H new ATOM 0 HB3 LYS A 105 6.413 12.232 -2.647 1.00 0.00 H new ATOM 0 HG2 LYS A 105 3.864 12.708 -3.205 1.00 0.00 H new ATOM 0 HG3 LYS A 105 3.548 11.903 -1.681 1.00 0.00 H new ATOM 0 HD2 LYS A 105 5.274 13.495 -0.608 1.00 0.00 H new ATOM 0 HD3 LYS A 105 5.283 14.382 -2.119 1.00 0.00 H new ATOM 0 HE2 LYS A 105 2.690 14.493 -1.889 1.00 0.00 H new ATOM 0 HE3 LYS A 105 2.919 13.941 -0.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 2.877 16.358 -0.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 4.406 15.828 0.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 4.185 16.362 -1.442 1.00 0.00 H new ATOM 362 N GLY A 106 3.666 11.198 -5.259 1.00 0.00 N ATOM 363 CA GLY A 106 3.177 11.926 -6.465 1.00 0.00 C ATOM 364 C GLY A 106 2.924 10.932 -7.600 1.00 0.00 C ATOM 365 O GLY A 106 2.208 11.219 -8.540 1.00 0.00 O ATOM 0 H GLY A 106 2.988 10.572 -4.825 1.00 0.00 H new ATOM 0 HA2 GLY A 106 2.259 12.465 -6.229 1.00 0.00 H new ATOM 0 HA3 GLY A 106 3.912 12.669 -6.776 1.00 0.00 H new ATOM 369 N GLU A 107 3.505 9.767 -7.525 1.00 0.00 N ATOM 370 CA GLU A 107 3.296 8.761 -8.604 1.00 0.00 C ATOM 371 C GLU A 107 1.835 8.309 -8.608 1.00 0.00 C ATOM 372 O GLU A 107 1.209 8.187 -7.574 1.00 0.00 O ATOM 373 CB GLU A 107 4.204 7.553 -8.361 1.00 0.00 C ATOM 374 CG GLU A 107 4.928 7.191 -9.660 1.00 0.00 C ATOM 375 CD GLU A 107 5.664 5.862 -9.481 1.00 0.00 C ATOM 376 OE1 GLU A 107 5.070 4.948 -8.933 1.00 0.00 O ATOM 377 OE2 GLU A 107 6.808 5.781 -9.896 1.00 0.00 O ATOM 0 H GLU A 107 4.115 9.468 -6.764 1.00 0.00 H new ATOM 0 HA GLU A 107 3.539 9.209 -9.567 1.00 0.00 H new ATOM 0 HB2 GLU A 107 4.929 7.780 -7.579 1.00 0.00 H new ATOM 0 HB3 GLU A 107 3.614 6.705 -8.012 1.00 0.00 H new ATOM 0 HG2 GLU A 107 4.212 7.115 -10.479 1.00 0.00 H new ATOM 0 HG3 GLU A 107 5.635 7.977 -9.926 1.00 0.00 H new ATOM 384 N LYS A 108 1.287 8.057 -9.766 1.00 0.00 N ATOM 385 CA LYS A 108 -0.134 7.611 -9.838 1.00 0.00 C ATOM 386 C LYS A 108 -0.206 6.103 -9.589 1.00 0.00 C ATOM 387 O LYS A 108 0.780 5.401 -9.691 1.00 0.00 O ATOM 388 CB LYS A 108 -0.696 7.927 -11.227 1.00 0.00 C ATOM 389 CG LYS A 108 -1.861 8.909 -11.095 1.00 0.00 C ATOM 390 CD LYS A 108 -1.362 10.330 -11.365 1.00 0.00 C ATOM 391 CE LYS A 108 -2.386 11.341 -10.843 1.00 0.00 C ATOM 392 NZ LYS A 108 -2.769 12.273 -11.942 1.00 0.00 N ATOM 0 H LYS A 108 1.762 8.141 -10.665 1.00 0.00 H new ATOM 0 HA LYS A 108 -0.720 8.133 -9.081 1.00 0.00 H new ATOM 0 HB2 LYS A 108 0.084 8.354 -11.858 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -1.032 7.011 -11.712 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -2.651 8.649 -11.799 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -2.292 8.847 -10.096 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -0.400 10.487 -10.878 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -1.205 10.474 -12.434 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -3.268 10.821 -10.469 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -1.967 11.901 -10.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -3.465 12.960 -11.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -1.925 12.778 -12.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -3.185 11.732 -12.727 1.00 0.00 H new ATOM 406 N PHE A 109 -1.364 5.599 -9.261 1.00 0.00 N ATOM 407 CA PHE A 109 -1.490 4.137 -9.005 1.00 0.00 C ATOM 408 C PHE A 109 -2.901 3.669 -9.365 1.00 0.00 C ATOM 409 O PHE A 109 -3.855 4.418 -9.283 1.00 0.00 O ATOM 410 CB PHE A 109 -1.224 3.854 -7.525 1.00 0.00 C ATOM 411 CG PHE A 109 0.261 3.722 -7.299 1.00 0.00 C ATOM 412 CD1 PHE A 109 0.968 2.664 -7.885 1.00 0.00 C ATOM 413 CD2 PHE A 109 0.933 4.655 -6.502 1.00 0.00 C ATOM 414 CE1 PHE A 109 2.346 2.542 -7.675 1.00 0.00 C ATOM 415 CE2 PHE A 109 2.311 4.534 -6.292 1.00 0.00 C ATOM 416 CZ PHE A 109 3.017 3.477 -6.878 1.00 0.00 C ATOM 0 H PHE A 109 -2.226 6.135 -9.159 1.00 0.00 H new ATOM 0 HA PHE A 109 -0.764 3.601 -9.617 1.00 0.00 H new ATOM 0 HB2 PHE A 109 -1.626 4.660 -6.911 1.00 0.00 H new ATOM 0 HB3 PHE A 109 -1.732 2.939 -7.221 1.00 0.00 H new ATOM 0 HD1 PHE A 109 0.449 1.942 -8.499 1.00 0.00 H new ATOM 0 HD2 PHE A 109 0.388 5.469 -6.048 1.00 0.00 H new ATOM 0 HE1 PHE A 109 2.892 1.727 -8.127 1.00 0.00 H new ATOM 0 HE2 PHE A 109 2.830 5.256 -5.678 1.00 0.00 H new ATOM 0 HZ PHE A 109 4.080 3.383 -6.715 1.00 0.00 H new ATOM 426 N GLN A 110 -3.042 2.433 -9.756 1.00 0.00 N ATOM 427 CA GLN A 110 -4.390 1.910 -10.114 1.00 0.00 C ATOM 428 C GLN A 110 -4.785 0.818 -9.117 1.00 0.00 C ATOM 429 O GLN A 110 -4.466 -0.342 -9.293 1.00 0.00 O ATOM 430 CB GLN A 110 -4.352 1.325 -11.528 1.00 0.00 C ATOM 431 CG GLN A 110 -4.361 2.462 -12.551 1.00 0.00 C ATOM 432 CD GLN A 110 -5.720 2.509 -13.253 1.00 0.00 C ATOM 433 OE1 GLN A 110 -6.518 1.602 -13.118 1.00 0.00 O ATOM 434 NE2 GLN A 110 -6.018 3.534 -14.002 1.00 0.00 N ATOM 0 H GLN A 110 -2.280 1.761 -9.843 1.00 0.00 H new ATOM 0 HA GLN A 110 -5.120 2.719 -10.079 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -3.459 0.713 -11.656 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -5.211 0.672 -11.686 1.00 0.00 H new ATOM 0 HG2 GLN A 110 -4.163 3.412 -12.055 1.00 0.00 H new ATOM 0 HG3 GLN A 110 -3.567 2.313 -13.283 1.00 0.00 H new ATOM 0 HE21 GLN A 110 -5.348 4.295 -14.115 1.00 0.00 H new ATOM 0 HE22 GLN A 110 -6.921 3.575 -14.475 1.00 0.00 H new ATOM 443 N ILE A 111 -5.472 1.180 -8.067 1.00 0.00 N ATOM 444 CA ILE A 111 -5.881 0.164 -7.057 1.00 0.00 C ATOM 445 C ILE A 111 -6.905 -0.791 -7.673 1.00 0.00 C ATOM 446 O ILE A 111 -7.993 -0.397 -8.045 1.00 0.00 O ATOM 447 CB ILE A 111 -6.506 0.867 -5.848 1.00 0.00 C ATOM 448 CG1 ILE A 111 -5.500 1.855 -5.247 1.00 0.00 C ATOM 449 CG2 ILE A 111 -6.883 -0.173 -4.792 1.00 0.00 C ATOM 450 CD1 ILE A 111 -4.129 1.187 -5.126 1.00 0.00 C ATOM 0 H ILE A 111 -5.767 2.135 -7.866 1.00 0.00 H new ATOM 0 HA ILE A 111 -5.004 -0.400 -6.739 1.00 0.00 H new ATOM 0 HB ILE A 111 -7.398 1.406 -6.168 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -5.428 2.743 -5.875 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -5.842 2.185 -4.266 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -7.328 0.327 -3.932 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -7.601 -0.876 -5.214 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -5.989 -0.712 -4.477 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -3.417 1.893 -4.698 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -4.206 0.313 -4.480 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -3.786 0.879 -6.114 1.00 0.00 H new ATOM 462 N LEU A 112 -6.568 -2.047 -7.780 1.00 0.00 N ATOM 463 CA LEU A 112 -7.522 -3.030 -8.366 1.00 0.00 C ATOM 464 C LEU A 112 -8.186 -3.816 -7.238 1.00 0.00 C ATOM 465 O LEU A 112 -9.331 -4.214 -7.330 1.00 0.00 O ATOM 466 CB LEU A 112 -6.769 -3.997 -9.285 1.00 0.00 C ATOM 467 CG LEU A 112 -5.574 -3.284 -9.917 1.00 0.00 C ATOM 468 CD1 LEU A 112 -4.682 -4.309 -10.620 1.00 0.00 C ATOM 469 CD2 LEU A 112 -6.074 -2.260 -10.939 1.00 0.00 C ATOM 0 H LEU A 112 -5.672 -2.435 -7.486 1.00 0.00 H new ATOM 0 HA LEU A 112 -8.280 -2.501 -8.945 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -6.429 -4.863 -8.717 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -7.436 -4.368 -10.063 1.00 0.00 H new ATOM 0 HG LEU A 112 -5.002 -2.775 -9.141 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -3.830 -3.801 -11.071 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -4.326 -5.040 -9.894 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -5.254 -4.817 -11.396 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -5.222 -1.751 -11.390 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -6.645 -2.770 -11.715 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -6.711 -1.529 -10.440 1.00 0.00 H new ATOM 481 N ASN A 113 -7.473 -4.043 -6.170 1.00 0.00 N ATOM 482 CA ASN A 113 -8.055 -4.803 -5.029 1.00 0.00 C ATOM 483 C ASN A 113 -7.712 -4.092 -3.718 1.00 0.00 C ATOM 484 O ASN A 113 -6.669 -3.483 -3.586 1.00 0.00 O ATOM 485 CB ASN A 113 -7.473 -6.218 -5.010 1.00 0.00 C ATOM 486 CG ASN A 113 -8.585 -7.233 -5.279 1.00 0.00 C ATOM 487 OD1 ASN A 113 -8.772 -8.163 -4.521 1.00 0.00 O ATOM 488 ND2 ASN A 113 -9.338 -7.091 -6.336 1.00 0.00 N ATOM 0 H ASN A 113 -6.510 -3.734 -6.038 1.00 0.00 H new ATOM 0 HA ASN A 113 -9.138 -4.858 -5.141 1.00 0.00 H new ATOM 0 HB2 ASN A 113 -6.692 -6.311 -5.764 1.00 0.00 H new ATOM 0 HB3 ASN A 113 -7.009 -6.419 -4.044 1.00 0.00 H new ATOM 0 HD21 ASN A 113 -10.083 -7.761 -6.525 1.00 0.00 H new ATOM 0 HD22 ASN A 113 -9.181 -6.310 -6.973 1.00 0.00 H new ATOM 495 N SER A 114 -8.580 -4.167 -2.747 1.00 0.00 N ATOM 496 CA SER A 114 -8.302 -3.495 -1.446 1.00 0.00 C ATOM 497 C SER A 114 -8.996 -4.262 -0.319 1.00 0.00 C ATOM 498 O SER A 114 -9.276 -3.723 0.733 1.00 0.00 O ATOM 499 CB SER A 114 -8.831 -2.061 -1.487 1.00 0.00 C ATOM 500 OG SER A 114 -9.985 -2.010 -2.315 1.00 0.00 O ATOM 0 H SER A 114 -9.469 -4.664 -2.798 1.00 0.00 H new ATOM 0 HA SER A 114 -7.227 -3.479 -1.268 1.00 0.00 H new ATOM 0 HB2 SER A 114 -9.076 -1.723 -0.480 1.00 0.00 H new ATOM 0 HB3 SER A 114 -8.064 -1.389 -1.871 1.00 0.00 H new ATOM 0 HG SER A 114 -10.328 -1.092 -2.342 1.00 0.00 H new ATOM 539 N ASP A 118 -4.270 -3.592 5.122 1.00 0.00 N ATOM 540 CA ASP A 118 -2.921 -3.021 5.395 1.00 0.00 C ATOM 541 C ASP A 118 -2.129 -2.930 4.088 1.00 0.00 C ATOM 542 O ASP A 118 -1.444 -1.960 3.832 1.00 0.00 O ATOM 543 CB ASP A 118 -2.175 -3.923 6.380 1.00 0.00 C ATOM 544 CG ASP A 118 -2.171 -3.275 7.766 1.00 0.00 C ATOM 545 OD1 ASP A 118 -1.713 -2.149 7.870 1.00 0.00 O ATOM 546 OD2 ASP A 118 -2.626 -3.916 8.699 1.00 0.00 O ATOM 0 HA ASP A 118 -3.030 -2.025 5.824 1.00 0.00 H new ATOM 0 HB2 ASP A 118 -2.653 -4.902 6.426 1.00 0.00 H new ATOM 0 HB3 ASP A 118 -1.152 -4.083 6.039 1.00 0.00 H new ATOM 551 N TRP A 119 -2.215 -3.936 3.260 1.00 0.00 N ATOM 552 CA TRP A 119 -1.464 -3.905 1.973 1.00 0.00 C ATOM 553 C TRP A 119 -2.440 -4.056 0.804 1.00 0.00 C ATOM 554 O TRP A 119 -3.017 -5.104 0.595 1.00 0.00 O ATOM 555 CB TRP A 119 -0.454 -5.054 1.947 1.00 0.00 C ATOM 556 CG TRP A 119 0.507 -4.901 3.083 1.00 0.00 C ATOM 557 CD1 TRP A 119 0.366 -5.472 4.302 1.00 0.00 C ATOM 558 CD2 TRP A 119 1.750 -4.143 3.127 1.00 0.00 C ATOM 559 NE1 TRP A 119 1.443 -5.112 5.091 1.00 0.00 N ATOM 560 CE2 TRP A 119 2.325 -4.293 4.413 1.00 0.00 C ATOM 561 CE3 TRP A 119 2.429 -3.347 2.187 1.00 0.00 C ATOM 562 CZ2 TRP A 119 3.530 -3.676 4.751 1.00 0.00 C ATOM 563 CZ3 TRP A 119 3.641 -2.725 2.525 1.00 0.00 C ATOM 564 CH2 TRP A 119 4.191 -2.889 3.804 1.00 0.00 C ATOM 0 H TRP A 119 -2.772 -4.776 3.419 1.00 0.00 H new ATOM 0 HA TRP A 119 -0.938 -2.954 1.883 1.00 0.00 H new ATOM 0 HB2 TRP A 119 -0.973 -6.010 2.022 1.00 0.00 H new ATOM 0 HB3 TRP A 119 0.085 -5.057 0.999 1.00 0.00 H new ATOM 0 HD1 TRP A 119 -0.454 -6.105 4.608 1.00 0.00 H new ATOM 0 HE1 TRP A 119 1.571 -5.415 6.057 1.00 0.00 H new ATOM 0 HE3 TRP A 119 2.015 -3.213 1.198 1.00 0.00 H new ATOM 0 HZ2 TRP A 119 3.949 -3.806 5.738 1.00 0.00 H new ATOM 0 HZ3 TRP A 119 4.153 -2.116 1.795 1.00 0.00 H new ATOM 0 HH2 TRP A 119 5.124 -2.408 4.057 1.00 0.00 H new ATOM 575 N TRP A 120 -2.625 -3.015 0.038 1.00 0.00 N ATOM 576 CA TRP A 120 -3.561 -3.095 -1.120 1.00 0.00 C ATOM 577 C TRP A 120 -2.785 -3.484 -2.380 1.00 0.00 C ATOM 578 O TRP A 120 -1.571 -3.457 -2.407 1.00 0.00 O ATOM 579 CB TRP A 120 -4.209 -1.728 -1.345 1.00 0.00 C ATOM 580 CG TRP A 120 -5.391 -1.567 -0.446 1.00 0.00 C ATOM 581 CD1 TRP A 120 -5.800 -2.466 0.479 1.00 0.00 C ATOM 582 CD2 TRP A 120 -6.323 -0.452 -0.374 1.00 0.00 C ATOM 583 NE1 TRP A 120 -6.924 -1.970 1.115 1.00 0.00 N ATOM 584 CE2 TRP A 120 -7.285 -0.731 0.624 1.00 0.00 C ATOM 585 CE3 TRP A 120 -6.423 0.764 -1.073 1.00 0.00 C ATOM 586 CZ2 TRP A 120 -8.312 0.167 0.918 1.00 0.00 C ATOM 587 CZ3 TRP A 120 -7.454 1.669 -0.780 1.00 0.00 C ATOM 588 CH2 TRP A 120 -8.399 1.372 0.213 1.00 0.00 C ATOM 0 H TRP A 120 -2.168 -2.112 0.164 1.00 0.00 H new ATOM 0 HA TRP A 120 -4.327 -3.842 -0.911 1.00 0.00 H new ATOM 0 HB2 TRP A 120 -3.484 -0.937 -1.151 1.00 0.00 H new ATOM 0 HB3 TRP A 120 -4.518 -1.630 -2.386 1.00 0.00 H new ATOM 0 HD1 TRP A 120 -5.327 -3.414 0.687 1.00 0.00 H new ATOM 0 HE1 TRP A 120 -7.425 -2.460 1.856 1.00 0.00 H new ATOM 0 HE3 TRP A 120 -5.701 1.003 -1.840 1.00 0.00 H new ATOM 0 HZ2 TRP A 120 -9.035 -0.067 1.685 1.00 0.00 H new ATOM 0 HZ3 TRP A 120 -7.521 2.600 -1.323 1.00 0.00 H new ATOM 0 HH2 TRP A 120 -9.192 2.072 0.433 1.00 0.00 H new ATOM 599 N GLU A 121 -3.480 -3.832 -3.428 1.00 0.00 N ATOM 600 CA GLU A 121 -2.787 -4.207 -4.693 1.00 0.00 C ATOM 601 C GLU A 121 -2.870 -3.030 -5.665 1.00 0.00 C ATOM 602 O GLU A 121 -3.901 -2.770 -6.253 1.00 0.00 O ATOM 603 CB GLU A 121 -3.469 -5.431 -5.308 1.00 0.00 C ATOM 604 CG GLU A 121 -3.956 -6.358 -4.193 1.00 0.00 C ATOM 605 CD GLU A 121 -4.353 -7.711 -4.788 1.00 0.00 C ATOM 606 OE1 GLU A 121 -4.916 -7.716 -5.870 1.00 0.00 O ATOM 607 OE2 GLU A 121 -4.088 -8.717 -4.152 1.00 0.00 O ATOM 0 H GLU A 121 -4.499 -3.873 -3.463 1.00 0.00 H new ATOM 0 HA GLU A 121 -1.743 -4.447 -4.489 1.00 0.00 H new ATOM 0 HB2 GLU A 121 -4.309 -5.119 -5.929 1.00 0.00 H new ATOM 0 HB3 GLU A 121 -2.772 -5.961 -5.957 1.00 0.00 H new ATOM 0 HG2 GLU A 121 -3.171 -6.493 -3.449 1.00 0.00 H new ATOM 0 HG3 GLU A 121 -4.808 -5.911 -3.680 1.00 0.00 H new ATOM 614 N ALA A 122 -1.796 -2.310 -5.833 1.00 0.00 N ATOM 615 CA ALA A 122 -1.823 -1.144 -6.760 1.00 0.00 C ATOM 616 C ALA A 122 -0.870 -1.392 -7.930 1.00 0.00 C ATOM 617 O ALA A 122 0.234 -1.870 -7.754 1.00 0.00 O ATOM 618 CB ALA A 122 -1.387 0.115 -6.008 1.00 0.00 C ATOM 0 H ALA A 122 -0.903 -2.478 -5.370 1.00 0.00 H new ATOM 0 HA ALA A 122 -2.835 -1.011 -7.141 1.00 0.00 H new ATOM 0 HB1 ALA A 122 -1.406 0.969 -6.686 1.00 0.00 H new ATOM 0 HB2 ALA A 122 -2.068 0.296 -5.176 1.00 0.00 H new ATOM 0 HB3 ALA A 122 -0.375 -0.022 -5.626 1.00 0.00 H new ATOM 624 N ARG A 123 -1.288 -1.070 -9.123 1.00 0.00 N ATOM 625 CA ARG A 123 -0.406 -1.284 -10.302 1.00 0.00 C ATOM 626 C ARG A 123 0.315 0.023 -10.642 1.00 0.00 C ATOM 627 O ARG A 123 -0.287 1.077 -10.701 1.00 0.00 O ATOM 628 CB ARG A 123 -1.247 -1.728 -11.499 1.00 0.00 C ATOM 629 CG ARG A 123 -0.325 -2.266 -12.594 1.00 0.00 C ATOM 630 CD ARG A 123 -1.128 -2.492 -13.875 1.00 0.00 C ATOM 631 NE ARG A 123 -0.550 -1.668 -14.974 1.00 0.00 N ATOM 632 CZ ARG A 123 -1.319 -0.878 -15.669 1.00 0.00 C ATOM 633 NH1 ARG A 123 -2.120 -1.375 -16.571 1.00 0.00 N ATOM 634 NH2 ARG A 123 -1.288 0.411 -15.463 1.00 0.00 N ATOM 0 H ARG A 123 -2.202 -0.668 -9.331 1.00 0.00 H new ATOM 0 HA ARG A 123 0.328 -2.056 -10.070 1.00 0.00 H new ATOM 0 HB2 ARG A 123 -1.956 -2.498 -11.194 1.00 0.00 H new ATOM 0 HB3 ARG A 123 -1.831 -0.889 -11.879 1.00 0.00 H new ATOM 0 HG2 ARG A 123 0.485 -1.561 -12.780 1.00 0.00 H new ATOM 0 HG3 ARG A 123 0.134 -3.200 -12.271 1.00 0.00 H new ATOM 0 HD2 ARG A 123 -1.109 -3.547 -14.148 1.00 0.00 H new ATOM 0 HD3 ARG A 123 -2.172 -2.223 -13.715 1.00 0.00 H new ATOM 0 HE ARG A 123 0.447 -1.722 -15.182 1.00 0.00 H new ATOM 0 HH11 ARG A 123 -2.144 -2.382 -16.732 1.00 0.00 H new ATOM 0 HH12 ARG A 123 -2.722 -0.757 -17.115 1.00 0.00 H new ATOM 0 HH21 ARG A 123 -0.662 0.800 -14.758 1.00 0.00 H new ATOM 0 HH22 ARG A 123 -1.890 1.029 -16.007 1.00 0.00 H new ATOM 648 N SER A 124 1.600 -0.037 -10.861 1.00 0.00 N ATOM 649 CA SER A 124 2.359 1.201 -11.193 1.00 0.00 C ATOM 650 C SER A 124 2.078 1.606 -12.641 1.00 0.00 C ATOM 651 O SER A 124 2.366 0.876 -13.567 1.00 0.00 O ATOM 652 CB SER A 124 3.856 0.944 -11.021 1.00 0.00 C ATOM 653 OG SER A 124 4.201 -0.271 -11.674 1.00 0.00 O ATOM 0 H SER A 124 2.157 -0.891 -10.824 1.00 0.00 H new ATOM 0 HA SER A 124 2.046 2.004 -10.525 1.00 0.00 H new ATOM 0 HB2 SER A 124 4.429 1.771 -11.440 1.00 0.00 H new ATOM 0 HB3 SER A 124 4.108 0.886 -9.962 1.00 0.00 H new ATOM 0 HG SER A 124 4.155 -1.011 -11.033 1.00 0.00 H new ATOM 659 N LEU A 125 1.522 2.769 -12.845 1.00 0.00 N ATOM 660 CA LEU A 125 1.231 3.219 -14.233 1.00 0.00 C ATOM 661 C LEU A 125 2.537 3.637 -14.911 1.00 0.00 C ATOM 662 O LEU A 125 2.595 3.827 -16.110 1.00 0.00 O ATOM 663 CB LEU A 125 0.271 4.410 -14.193 1.00 0.00 C ATOM 664 CG LEU A 125 -1.133 3.919 -13.834 1.00 0.00 C ATOM 665 CD1 LEU A 125 -1.915 5.051 -13.166 1.00 0.00 C ATOM 666 CD2 LEU A 125 -1.859 3.481 -15.107 1.00 0.00 C ATOM 0 H LEU A 125 1.257 3.425 -12.110 1.00 0.00 H new ATOM 0 HA LEU A 125 0.772 2.405 -14.794 1.00 0.00 H new ATOM 0 HB2 LEU A 125 0.611 5.141 -13.460 1.00 0.00 H new ATOM 0 HB3 LEU A 125 0.256 4.912 -15.160 1.00 0.00 H new ATOM 0 HG LEU A 125 -1.059 3.075 -13.148 1.00 0.00 H new ATOM 0 HD11 LEU A 125 -2.915 4.701 -12.910 1.00 0.00 H new ATOM 0 HD12 LEU A 125 -1.398 5.365 -12.259 1.00 0.00 H new ATOM 0 HD13 LEU A 125 -1.990 5.895 -13.852 1.00 0.00 H new ATOM 0 HD21 LEU A 125 -2.860 3.131 -14.853 1.00 0.00 H new ATOM 0 HD22 LEU A 125 -1.933 4.325 -15.792 1.00 0.00 H new ATOM 0 HD23 LEU A 125 -1.302 2.674 -15.584 1.00 0.00 H new ATOM 678 N THR A 126 3.589 3.778 -14.149 1.00 0.00 N ATOM 679 CA THR A 126 4.894 4.179 -14.743 1.00 0.00 C ATOM 680 C THR A 126 5.549 2.960 -15.397 1.00 0.00 C ATOM 681 O THR A 126 5.786 2.934 -16.589 1.00 0.00 O ATOM 682 CB THR A 126 5.809 4.720 -13.642 1.00 0.00 C ATOM 683 OG1 THR A 126 5.236 5.895 -13.086 1.00 0.00 O ATOM 684 CG2 THR A 126 7.182 5.047 -14.232 1.00 0.00 C ATOM 0 H THR A 126 3.599 3.632 -13.140 1.00 0.00 H new ATOM 0 HA THR A 126 4.732 4.953 -15.494 1.00 0.00 H new ATOM 0 HB THR A 126 5.922 3.968 -12.861 1.00 0.00 H new ATOM 0 HG1 THR A 126 5.820 6.241 -12.380 1.00 0.00 H new ATOM 0 HG21 THR A 126 7.833 5.432 -13.447 1.00 0.00 H new ATOM 0 HG22 THR A 126 7.620 4.144 -14.656 1.00 0.00 H new ATOM 0 HG23 THR A 126 7.072 5.799 -15.014 1.00 0.00 H new ATOM 692 N THR A 127 5.842 1.949 -14.625 1.00 0.00 N ATOM 693 CA THR A 127 6.480 0.730 -15.199 1.00 0.00 C ATOM 694 C THR A 127 5.393 -0.249 -15.648 1.00 0.00 C ATOM 695 O THR A 127 5.500 -0.881 -16.680 1.00 0.00 O ATOM 696 CB THR A 127 7.355 0.065 -14.133 1.00 0.00 C ATOM 697 OG1 THR A 127 6.787 0.291 -12.850 1.00 0.00 O ATOM 698 CG2 THR A 127 8.765 0.657 -14.180 1.00 0.00 C ATOM 0 H THR A 127 5.667 1.915 -13.621 1.00 0.00 H new ATOM 0 HA THR A 127 7.095 1.008 -16.054 1.00 0.00 H new ATOM 0 HB THR A 127 7.409 -1.007 -14.325 1.00 0.00 H new ATOM 0 HG1 THR A 127 5.861 -0.031 -12.841 1.00 0.00 H new ATOM 0 HG21 THR A 127 9.385 0.181 -13.420 1.00 0.00 H new ATOM 0 HG22 THR A 127 9.200 0.483 -15.164 1.00 0.00 H new ATOM 0 HG23 THR A 127 8.716 1.729 -13.989 1.00 0.00 H new ATOM 706 N GLY A 128 4.344 -0.379 -14.880 1.00 0.00 N ATOM 707 CA GLY A 128 3.251 -1.317 -15.263 1.00 0.00 C ATOM 708 C GLY A 128 3.252 -2.520 -14.319 1.00 0.00 C ATOM 709 O GLY A 128 2.255 -3.196 -14.158 1.00 0.00 O ATOM 0 H GLY A 128 4.198 0.124 -14.005 1.00 0.00 H new ATOM 0 HA2 GLY A 128 2.288 -0.807 -15.218 1.00 0.00 H new ATOM 0 HA3 GLY A 128 3.388 -1.650 -16.292 1.00 0.00 H new ATOM 713 N GLU A 129 4.364 -2.794 -13.694 1.00 0.00 N ATOM 714 CA GLU A 129 4.429 -3.954 -12.761 1.00 0.00 C ATOM 715 C GLU A 129 3.501 -3.704 -11.571 1.00 0.00 C ATOM 716 O GLU A 129 3.540 -2.661 -10.949 1.00 0.00 O ATOM 717 CB GLU A 129 5.865 -4.124 -12.261 1.00 0.00 C ATOM 718 CG GLU A 129 6.254 -2.917 -11.406 1.00 0.00 C ATOM 719 CD GLU A 129 7.717 -3.044 -10.979 1.00 0.00 C ATOM 720 OE1 GLU A 129 8.534 -3.370 -11.824 1.00 0.00 O ATOM 721 OE2 GLU A 129 7.996 -2.813 -9.814 1.00 0.00 O ATOM 0 H GLU A 129 5.231 -2.265 -13.789 1.00 0.00 H new ATOM 0 HA GLU A 129 4.115 -4.859 -13.282 1.00 0.00 H new ATOM 0 HB2 GLU A 129 5.952 -5.040 -11.677 1.00 0.00 H new ATOM 0 HB3 GLU A 129 6.547 -4.219 -13.106 1.00 0.00 H new ATOM 0 HG2 GLU A 129 6.108 -1.996 -11.970 1.00 0.00 H new ATOM 0 HG3 GLU A 129 5.612 -2.858 -10.527 1.00 0.00 H new ATOM 728 N THR A 130 2.664 -4.653 -11.248 1.00 0.00 N ATOM 729 CA THR A 130 1.735 -4.468 -10.099 1.00 0.00 C ATOM 730 C THR A 130 2.352 -5.084 -8.843 1.00 0.00 C ATOM 731 O THR A 130 3.193 -5.957 -8.918 1.00 0.00 O ATOM 732 CB THR A 130 0.400 -5.153 -10.402 1.00 0.00 C ATOM 733 OG1 THR A 130 -0.553 -4.788 -9.414 1.00 0.00 O ATOM 734 CG2 THR A 130 0.591 -6.671 -10.395 1.00 0.00 C ATOM 0 H THR A 130 2.584 -5.548 -11.731 1.00 0.00 H new ATOM 0 HA THR A 130 1.565 -3.403 -9.937 1.00 0.00 H new ATOM 0 HB THR A 130 0.044 -4.839 -11.383 1.00 0.00 H new ATOM 0 HG1 THR A 130 -1.409 -5.225 -9.608 1.00 0.00 H new ATOM 0 HG21 THR A 130 -0.360 -7.158 -10.611 1.00 0.00 H new ATOM 0 HG22 THR A 130 1.322 -6.949 -11.154 1.00 0.00 H new ATOM 0 HG23 THR A 130 0.947 -6.988 -9.415 1.00 0.00 H new ATOM 742 N GLY A 131 1.940 -4.638 -7.689 1.00 0.00 N ATOM 743 CA GLY A 131 2.506 -5.200 -6.432 1.00 0.00 C ATOM 744 C GLY A 131 1.637 -4.785 -5.242 1.00 0.00 C ATOM 745 O GLY A 131 0.530 -4.307 -5.404 1.00 0.00 O ATOM 0 H GLY A 131 1.237 -3.910 -7.562 1.00 0.00 H new ATOM 0 HA2 GLY A 131 2.554 -6.287 -6.498 1.00 0.00 H new ATOM 0 HA3 GLY A 131 3.527 -4.844 -6.291 1.00 0.00 H new ATOM 749 N TYR A 132 2.130 -4.968 -4.047 1.00 0.00 N ATOM 750 CA TYR A 132 1.335 -4.591 -2.846 1.00 0.00 C ATOM 751 C TYR A 132 1.949 -3.355 -2.185 1.00 0.00 C ATOM 752 O TYR A 132 3.116 -3.332 -1.849 1.00 0.00 O ATOM 753 CB TYR A 132 1.336 -5.751 -1.849 1.00 0.00 C ATOM 754 CG TYR A 132 0.669 -6.953 -2.475 1.00 0.00 C ATOM 755 CD1 TYR A 132 -0.463 -6.785 -3.281 1.00 0.00 C ATOM 756 CD2 TYR A 132 1.184 -8.235 -2.249 1.00 0.00 C ATOM 757 CE1 TYR A 132 -1.080 -7.899 -3.862 1.00 0.00 C ATOM 758 CE2 TYR A 132 0.567 -9.350 -2.830 1.00 0.00 C ATOM 759 CZ TYR A 132 -0.565 -9.182 -3.637 1.00 0.00 C ATOM 760 OH TYR A 132 -1.174 -10.279 -4.208 1.00 0.00 O ATOM 0 H TYR A 132 3.050 -5.363 -3.852 1.00 0.00 H new ATOM 0 HA TYR A 132 0.312 -4.368 -3.149 1.00 0.00 H new ATOM 0 HB2 TYR A 132 2.358 -5.997 -1.562 1.00 0.00 H new ATOM 0 HB3 TYR A 132 0.810 -5.463 -0.939 1.00 0.00 H new ATOM 0 HD1 TYR A 132 -0.860 -5.796 -3.455 1.00 0.00 H new ATOM 0 HD2 TYR A 132 2.057 -8.364 -1.627 1.00 0.00 H new ATOM 0 HE1 TYR A 132 -1.953 -7.769 -4.484 1.00 0.00 H new ATOM 0 HE2 TYR A 132 0.964 -10.339 -2.656 1.00 0.00 H new ATOM 0 HH TYR A 132 -0.690 -11.092 -3.952 1.00 0.00 H new ATOM 770 N ILE A 133 1.165 -2.330 -1.988 1.00 0.00 N ATOM 771 CA ILE A 133 1.692 -1.096 -1.338 1.00 0.00 C ATOM 772 C ILE A 133 0.800 -0.750 -0.143 1.00 0.00 C ATOM 773 O ILE A 133 -0.337 -1.172 -0.084 1.00 0.00 O ATOM 774 CB ILE A 133 1.672 0.059 -2.342 1.00 0.00 C ATOM 775 CG1 ILE A 133 0.222 0.418 -2.675 1.00 0.00 C ATOM 776 CG2 ILE A 133 2.402 -0.357 -3.619 1.00 0.00 C ATOM 777 CD1 ILE A 133 0.192 1.686 -3.529 1.00 0.00 C ATOM 0 H ILE A 133 0.180 -2.294 -2.250 1.00 0.00 H new ATOM 0 HA ILE A 133 2.716 -1.261 -1.002 1.00 0.00 H new ATOM 0 HB ILE A 133 2.171 0.925 -1.908 1.00 0.00 H new ATOM 0 HG12 ILE A 133 -0.253 -0.404 -3.210 1.00 0.00 H new ATOM 0 HG13 ILE A 133 -0.345 0.572 -1.757 1.00 0.00 H new ATOM 0 HG21 ILE A 133 2.386 0.467 -4.332 1.00 0.00 H new ATOM 0 HG22 ILE A 133 3.435 -0.611 -3.381 1.00 0.00 H new ATOM 0 HG23 ILE A 133 1.906 -1.224 -4.056 1.00 0.00 H new ATOM 0 HD11 ILE A 133 -0.841 1.941 -3.766 1.00 0.00 H new ATOM 0 HD12 ILE A 133 0.651 2.507 -2.978 1.00 0.00 H new ATOM 0 HD13 ILE A 133 0.744 1.515 -4.453 1.00 0.00 H new ATOM 789 N PRO A 134 1.338 0.009 0.777 1.00 0.00 N ATOM 790 CA PRO A 134 0.592 0.418 1.978 1.00 0.00 C ATOM 791 C PRO A 134 -0.674 1.181 1.572 1.00 0.00 C ATOM 792 O PRO A 134 -0.620 2.133 0.820 1.00 0.00 O ATOM 793 CB PRO A 134 1.559 1.327 2.751 1.00 0.00 C ATOM 794 CG PRO A 134 2.879 1.407 1.940 1.00 0.00 C ATOM 795 CD PRO A 134 2.717 0.520 0.694 1.00 0.00 C ATOM 0 HA PRO A 134 0.268 -0.430 2.581 1.00 0.00 H new ATOM 0 HB2 PRO A 134 1.129 2.320 2.881 1.00 0.00 H new ATOM 0 HB3 PRO A 134 1.746 0.927 3.748 1.00 0.00 H new ATOM 0 HG2 PRO A 134 3.089 2.437 1.652 1.00 0.00 H new ATOM 0 HG3 PRO A 134 3.720 1.068 2.544 1.00 0.00 H new ATOM 0 HD2 PRO A 134 2.874 1.090 -0.222 1.00 0.00 H new ATOM 0 HD3 PRO A 134 3.442 -0.294 0.690 1.00 0.00 H new ATOM 803 N SER A 135 -1.812 0.763 2.056 1.00 0.00 N ATOM 804 CA SER A 135 -3.078 1.460 1.689 1.00 0.00 C ATOM 805 C SER A 135 -3.056 2.891 2.233 1.00 0.00 C ATOM 806 O SER A 135 -3.517 3.815 1.593 1.00 0.00 O ATOM 807 CB SER A 135 -4.267 0.707 2.288 1.00 0.00 C ATOM 808 OG SER A 135 -4.151 0.696 3.704 1.00 0.00 O ATOM 0 H SER A 135 -1.920 -0.030 2.689 1.00 0.00 H new ATOM 0 HA SER A 135 -3.172 1.487 0.603 1.00 0.00 H new ATOM 0 HB2 SER A 135 -5.201 1.184 1.992 1.00 0.00 H new ATOM 0 HB3 SER A 135 -4.296 -0.313 1.906 1.00 0.00 H new ATOM 0 HG SER A 135 -4.913 0.216 4.091 1.00 0.00 H new ATOM 814 N ASN A 136 -2.525 3.083 3.410 1.00 0.00 N ATOM 815 CA ASN A 136 -2.477 4.456 3.990 1.00 0.00 C ATOM 816 C ASN A 136 -1.469 5.309 3.214 1.00 0.00 C ATOM 817 O ASN A 136 -1.321 6.489 3.461 1.00 0.00 O ATOM 818 CB ASN A 136 -2.054 4.380 5.459 1.00 0.00 C ATOM 819 CG ASN A 136 -0.938 3.346 5.620 1.00 0.00 C ATOM 820 OD1 ASN A 136 0.153 3.530 5.118 1.00 0.00 O ATOM 821 ND2 ASN A 136 -1.169 2.258 6.303 1.00 0.00 N ATOM 0 H ASN A 136 -2.123 2.350 3.994 1.00 0.00 H new ATOM 0 HA ASN A 136 -3.466 4.909 3.920 1.00 0.00 H new ATOM 0 HB2 ASN A 136 -1.710 5.357 5.800 1.00 0.00 H new ATOM 0 HB3 ASN A 136 -2.908 4.108 6.080 1.00 0.00 H new ATOM 0 HD21 ASN A 136 -0.433 1.561 6.416 1.00 0.00 H new ATOM 0 HD22 ASN A 136 -2.085 2.105 6.724 1.00 0.00 H new ATOM 828 N TYR A 137 -0.772 4.721 2.280 1.00 0.00 N ATOM 829 CA TYR A 137 0.227 5.498 1.493 1.00 0.00 C ATOM 830 C TYR A 137 -0.406 5.987 0.188 1.00 0.00 C ATOM 831 O TYR A 137 0.251 6.580 -0.644 1.00 0.00 O ATOM 832 CB TYR A 137 1.423 4.603 1.166 1.00 0.00 C ATOM 833 CG TYR A 137 2.546 4.883 2.137 1.00 0.00 C ATOM 834 CD1 TYR A 137 2.284 4.952 3.510 1.00 0.00 C ATOM 835 CD2 TYR A 137 3.850 5.069 1.661 1.00 0.00 C ATOM 836 CE1 TYR A 137 3.326 5.209 4.408 1.00 0.00 C ATOM 837 CE2 TYR A 137 4.892 5.326 2.560 1.00 0.00 C ATOM 838 CZ TYR A 137 4.629 5.396 3.933 1.00 0.00 C ATOM 839 OH TYR A 137 5.655 5.647 4.821 1.00 0.00 O ATOM 0 H TYR A 137 -0.851 3.736 2.028 1.00 0.00 H new ATOM 0 HA TYR A 137 0.556 6.356 2.080 1.00 0.00 H new ATOM 0 HB2 TYR A 137 1.132 3.554 1.224 1.00 0.00 H new ATOM 0 HB3 TYR A 137 1.758 4.785 0.145 1.00 0.00 H new ATOM 0 HD1 TYR A 137 1.278 4.807 3.876 1.00 0.00 H new ATOM 0 HD2 TYR A 137 4.052 5.014 0.601 1.00 0.00 H new ATOM 0 HE1 TYR A 137 3.125 5.263 5.468 1.00 0.00 H new ATOM 0 HE2 TYR A 137 5.898 5.470 2.194 1.00 0.00 H new ATOM 0 HH TYR A 137 6.496 5.751 4.328 1.00 0.00 H new ATOM 849 N VAL A 138 -1.673 5.740 -0.005 1.00 0.00 N ATOM 850 CA VAL A 138 -2.333 6.190 -1.262 1.00 0.00 C ATOM 851 C VAL A 138 -3.650 6.894 -0.933 1.00 0.00 C ATOM 852 O VAL A 138 -4.287 6.607 0.062 1.00 0.00 O ATOM 853 CB VAL A 138 -2.609 4.978 -2.153 1.00 0.00 C ATOM 854 CG1 VAL A 138 -1.291 4.454 -2.723 1.00 0.00 C ATOM 855 CG2 VAL A 138 -3.277 3.879 -1.324 1.00 0.00 C ATOM 0 H VAL A 138 -2.278 5.247 0.652 1.00 0.00 H new ATOM 0 HA VAL A 138 -1.676 6.886 -1.785 1.00 0.00 H new ATOM 0 HB VAL A 138 -3.268 5.270 -2.970 1.00 0.00 H new ATOM 0 HG11 VAL A 138 -1.487 3.590 -3.358 1.00 0.00 H new ATOM 0 HG12 VAL A 138 -0.813 5.236 -3.312 1.00 0.00 H new ATOM 0 HG13 VAL A 138 -0.632 4.161 -1.906 1.00 0.00 H new ATOM 0 HG21 VAL A 138 -3.474 3.014 -1.958 1.00 0.00 H new ATOM 0 HG22 VAL A 138 -2.617 3.587 -0.507 1.00 0.00 H new ATOM 0 HG23 VAL A 138 -4.216 4.252 -0.916 1.00 0.00 H new ATOM 865 N ALA A 139 -4.065 7.812 -1.764 1.00 0.00 N ATOM 866 CA ALA A 139 -5.341 8.533 -1.501 1.00 0.00 C ATOM 867 C ALA A 139 -6.023 8.864 -2.833 1.00 0.00 C ATOM 868 O ALA A 139 -5.363 9.071 -3.831 1.00 0.00 O ATOM 869 CB ALA A 139 -5.051 9.828 -0.741 1.00 0.00 C ATOM 0 H ALA A 139 -3.575 8.093 -2.613 1.00 0.00 H new ATOM 0 HA ALA A 139 -5.997 7.902 -0.902 1.00 0.00 H new ATOM 0 HB1 ALA A 139 -5.986 10.355 -0.549 1.00 0.00 H new ATOM 0 HB2 ALA A 139 -4.566 9.593 0.206 1.00 0.00 H new ATOM 0 HB3 ALA A 139 -4.394 10.461 -1.338 1.00 0.00 H new ATOM 875 N PRO A 140 -7.332 8.906 -2.805 1.00 0.00 N ATOM 876 CA PRO A 140 -8.132 9.211 -4.003 1.00 0.00 C ATOM 877 C PRO A 140 -7.772 10.599 -4.535 1.00 0.00 C ATOM 878 O PRO A 140 -7.558 11.527 -3.781 1.00 0.00 O ATOM 879 CB PRO A 140 -9.589 9.177 -3.520 1.00 0.00 C ATOM 880 CG PRO A 140 -9.578 8.840 -2.007 1.00 0.00 C ATOM 881 CD PRO A 140 -8.113 8.655 -1.581 1.00 0.00 C ATOM 0 HA PRO A 140 -7.955 8.505 -4.815 1.00 0.00 H new ATOM 0 HB2 PRO A 140 -10.072 10.139 -3.694 1.00 0.00 H new ATOM 0 HB3 PRO A 140 -10.158 8.430 -4.074 1.00 0.00 H new ATOM 0 HG2 PRO A 140 -10.045 9.641 -1.433 1.00 0.00 H new ATOM 0 HG3 PRO A 140 -10.150 7.933 -1.813 1.00 0.00 H new ATOM 0 HD2 PRO A 140 -7.840 9.351 -0.788 1.00 0.00 H new ATOM 0 HD3 PRO A 140 -7.936 7.650 -1.198 1.00 0.00 H new ATOM 889 N VAL A 141 -7.702 10.749 -5.829 1.00 0.00 N ATOM 890 CA VAL A 141 -7.355 12.077 -6.405 1.00 0.00 C ATOM 891 C VAL A 141 -8.475 13.074 -6.103 1.00 0.00 C ATOM 892 O VAL A 141 -9.564 12.630 -5.778 1.00 0.00 O ATOM 893 CB VAL A 141 -7.183 11.944 -7.919 1.00 0.00 C ATOM 894 CG1 VAL A 141 -6.742 13.287 -8.502 1.00 0.00 C ATOM 895 CG2 VAL A 141 -6.120 10.883 -8.215 1.00 0.00 C ATOM 896 OXT VAL A 141 -8.225 14.264 -6.201 1.00 0.00 O ATOM 0 H VAL A 141 -7.870 10.010 -6.511 1.00 0.00 H new ATOM 0 HA VAL A 141 -6.425 12.434 -5.963 1.00 0.00 H new ATOM 0 HB VAL A 141 -8.130 11.648 -8.371 1.00 0.00 H new ATOM 0 HG11 VAL A 141 -6.619 13.193 -9.581 1.00 0.00 H new ATOM 0 HG12 VAL A 141 -7.498 14.043 -8.287 1.00 0.00 H new ATOM 0 HG13 VAL A 141 -5.794 13.585 -8.054 1.00 0.00 H new ATOM 0 HG21 VAL A 141 -5.994 10.785 -9.293 1.00 0.00 H new ATOM 0 HG22 VAL A 141 -5.173 11.181 -7.765 1.00 0.00 H new ATOM 0 HG23 VAL A 141 -6.435 9.926 -7.798 1.00 0.00 H new